SCHEMBL16901902

SCHEMBL16901902

CCCOCc1ccc(COc2c(Cl)cnn(C(C)(C)C)c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
GALR3 O60755 1/20 0.38
NR2F2 P24468 1/20 0.38
GPR183 P32249 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR35 Q9HC97 1/20 0.38
NPBWR1 P48145 10/20 0.37
MCHR1 Q99705 5/20 0.37
TSHR P16473 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16903754 0.90 MAPK1 (0.40) MAPK1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL15596708 0.90 MAPK1 (0.40) MAPK1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL11938602 0.84 SMN1; SMN2 (0.46) MAPK1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL15596666 0.82 ALDH1A1 (0.39) MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL16901904 0.81 SMN1; SMN2 (0.43) MAPK1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL16901894 0.80 SMN1; SMN2 (0.37) MAPK1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL16901931 0.79 NPC1 (0.43) MAPK1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL16901926 0.79 MAPK14 (0.46) MAPK1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL16901900 0.79 NPC1 (0.41) MAPK1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL16901942 0.78 NPC1 (0.45) MAPK1SMN1; SMN2NPC1RAB9AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11744906-B2 Compositions, methods, and systems for the synthesis and use of imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2023-09-05 US disclosed
US-9919064-B2 Compositions, methods, and systems for the synthesis and use of imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2018-03-20 US disclosed
US-9713651-B2 Compositions, methods, and systems for the synthesis and use of imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2017-07-25 US disclosed
US-20170202984-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2017-07-20 US disclosed
US-20170151353-A9 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2017-06-01 US disclosed
US-9555138-B2 2017-01-31 US disclosed
US-20150196672-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2015-07-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150196672-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS TNNI3, FABP3, TNNT2 MAPK1 4399/4885SMN1; SMN2 420/4885NPC1 272/4885
US-20170151353-A9 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS TNNI3, FABP3, TNNT2 MAPK1 4399/4885SMN1; SMN2 420/4885NPC1 272/4885
US-11744906-B2 Compositions, methods, and systems for the synthesis and use of imaging agents FABP3, TNNI3, TNNT2 MAPK1 4592/4885SMN1; SMN2 699/4885NPC1 221/4885
US-20170202984-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 MAPK1 4592/4885SMN1; SMN2 699/4885NPC1 221/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.